Dear Charles, Thank you for clarification - everything is working fine now.
Vitaly ----- Original Message ----- From: [email protected] Date: Wednesday, January 6, 2010 3:38 pm Subject: Re: [Xplor-nih] Structure display during simulated annealing To: Vitaly Vostrikov <vvostri at uark.edu> Cc: Charles at schwieters.org, xplor-nih at nmr.cit.nih.gov > -----BEGIN PGP SIGNED MESSAGE----- > Hash: SHA1 > > > Hello Vitaly-- > > > > > Thank you for your response. I have added the changes to the > default> protG "anneal.py" script, and now the extended > conformation is loaded > > in VMD-Xplor. However, when it comes to " IVM.setTrajectory( > > VMDTraj(vobj,saveInterval=100) )" line, the script terminates > with the > > following message: > > > > TypeError: unbound method setTrajectory() must be called with IVM > instance as > > first argument (got VMDTraj instance instead) > > the object to the left of the . in ivm.setTrajectory must be an IVM > instance. So, for eginput/gb1_rdc/anneal.py this will be dyn and minc. > > best regards-- > Charles > -----BEGIN PGP SIGNATURE----- > Version: GnuPG v1.4.10 (GNU/Linux) > Comment: Processed by Mailcrypt 3.5.8+ > <http://mailcrypt.sourceforge.net/> > iEYEARECAAYFAktFAugACgkQPK2zrJwS/lbb2QCeK5WLRYACOqSAE7EbzVY7XGlG > /jcAniJjymjsJX4DP15VL6LFau8KBxSy > =M2p6 > -----END PGP SIGNATURE----- >
